(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone

C25H26N4O — CID 109173637

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccnc(N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C25H26N4O/c1-19-17-20-7-5-6-10-23(20)29(19)25(30)21-11-12-26-24(18-21)28-15-13-27(14-16-28)22-8-3-2-4-9-22/h2-12,18-19H,13-17H2,1H3
InChIKeyVUCZUIMYOPEKOY-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.00
Rot. Bonds3

About (2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone

(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone (PubChem CID 109173637) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
PubChem CID109173637
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccnc(N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C25H26N4O/c1-19-17-20-7-5-6-10-23(20)29(19)25(30)21-11-12-26-24(18-21)28-15-13-27(14-16-28)22-8-3-2-4-9-22/h2-12,18-19H,13-17H2,1H3
InChIKeyVUCZUIMYOPEKOY-UHFFFAOYSA-N
XLogP4.00
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109309496
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
CID 25392039
(2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109081337
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112532256
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propane-1,3-dione
CID 108965609
[6-(azepan-1-yl)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109355575
(2-methyl-2,3-dihydroindol-1-yl)-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109278400
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone (CID 109173637) is (2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone is CC1Cc2ccccc2N1C(=O)c1ccnc(N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone?
The InChIKey is VUCZUIMYOPEKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-19-17-20-7-5-6-10-23(20)29(19)25(30)21-11-12-26-24(18-21)28-15-13-27(14-16-28)22-8-3-2-4-9-22/h2-12,18-19H,13-17H2,1H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone has a molecular weight of 398.51 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 109173637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).